6-methoxy-2-[[4-(morpholin-4-ylcarbonylamino)phenyl]sulfonylamino]hex-4-ynoic acid

Systemtic Name: 6-methoxy-2-[[4-(morpholin-4-ylcarbonylamino)phenyl]sulfonylamino]hex-4-ynoic acid Openeye Name: 6-methoxy-2-[[4-(morpholine-4-carbonylamino)phenyl]sulfonylamino]hex-4-ynoic acid CAS Name: 6-methoxy-2-[[4-[[4-morpholinyl(oxo)methyl]amino]phenyl]sulfonylamino]-4-hexynoic acid IUPAC Name: 6-methoxy-2-[[4-(morpholine-4-carbonylamino)phenyl]sulfonylamino]hex-4-ynoic acid Traditional Name: 6-methoxy-2-[[4-(morpholine-4-carbonylamino)phenyl]sulfonylamino]hex-4-ynoic acid Formula: C18H23N3O7S MolecularWeight: 425.45612

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCOCC2

Isomeric SMILES

COCC#CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCOCC2

InChI

InChI=1S/C18H23N3O7S/c1-27-11-3-2-4-16(17(22)23)20-29(25,26)15-7-5-14(6-8-15)19-18(24)21-9-12-28-13-10-21/h5-8,16,20H,4,9-13H2,1H3,(H,19,24)(H,22,23)